⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13670834 | 1.00 | — | — | |
| SCHEMBL869082 | 0.87 | TSHR (0.53) | — | |
| SCHEMBL821076 | 0.87 | TSHR (0.53) | — | |
| SCHEMBL869080 | 0.87 | TSHR (0.53) | — | |
| SCHEMBL820772 | 0.80 | CYP4F2 (0.46) | — | |
| SCHEMBL11335823 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL11598060 | 0.78 | — | — | |
| SCHEMBL9245608 | 0.78 | — | — | |
| SCHEMBL2427567 | 0.78 | ALDH1A1 (0.60) | — | |
| SCHEMBL10988428 | 0.78 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105712864-A | Preparation method of 5-bromo-valeric acid | 湖北相和精密化学有限公司 | 2016-06-29 | — | — | CN | disclosed |